Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50395100'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50395100 (CHEMBL2164301) Show SMILES CCCCCCCCCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r| Show InChI InChI=1S/C32H48N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-27(36)33-24-17-18-32(37)26-22-23-15-16-25(35)29-28(23)31(32,30(24)38-29)19-21-34(26)20-4-2/h4,15-16,24,26,30,35,37H,2-3,5-14,17-22H2,1H3,(H,33,36)/t24-,26-,30+,31+,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins				J Med Chem 55: 6352-62 (2012) Article DOI: 10.1021/jm300305c BindingDB Entry DOI: 10.7270/Q2930V8C
					More data for this Ligand-Target Pair